5-[2-(1H-imidazol-2-ylamino)ethanoylamino]-N-[1-oxidanylidene-1-[(2-oxidanylidene-4-phenoxy-azetidin-3-yl)amino]-3-phenyl-propan-2-yl]pentanamide

Systemtic Name: 5-[2-(1H-imidazol-2-ylamino)ethanoylamino]-N-[1-oxidanylidene-1-[(2-oxidanylidene-4-phenoxy-azetidin-3-yl)amino]-3-phenyl-propan-2-yl]pentanamide Openeye Name: N-[1-benzyl-2-oxo-2-[(2-oxo-4-phenoxy-azetidin-3-yl)amino]ethyl]-5-[[2-(1H-imidazol-2-ylamino)acetyl]amino]pentanamide CAS Name: 5-[[2-(1H-imidazol-2-ylamino)-1-oxoethyl]amino]-N-[1-oxo-1-[(2-oxo-4-phenoxy-3-azetidinyl)amino]-3-phenylpropan-2-yl]pentanamide IUPAC Name: 5-[[2-(1H-imidazol-2-ylamino)acetyl]amino]-N-[1-oxo-1-[(2-oxo-4-phenoxyazetidin-3-yl)amino]-3-phenylpropan-2-yl]pentanamide Traditional Name: N-[1-benzyl-2-keto-2-[(2-keto-4-phenoxy-azetidin-3-yl)amino]ethyl]-5-[[2-(1H-imidazol-2-ylamino)acetyl]amino]valeramide Formula: C28H33N7O5 MolecularWeight: 547.60552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2C(NC2=O)OC3=CC=CC=C3)NC(=O)CCCCNC(=O)CNC4=NC=CN4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC2C(NC2=O)OC3=CC=CC=C3)NC(=O)CCCCNC(=O)CNC4=NC=CN4

InChI

InChI=1S/C28H33N7O5/c36-22(13-7-8-14-29-23(37)18-32-28-30-15-16-31-28)33-21(17-19-9-3-1-4-10-19)25(38)34-24-26(39)35-27(24)40-20-11-5-2-6-12-20/h1-6,9-12,15-16,21,24,27H,7-8,13-14,17-18H2,(H,29,37)(H,33,36)(H,34,38)(H,35,39)(H2,30,31,32)